1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone

C21H24N2O2 — CID 118744657

IUPAC1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC2(CC1)CC(c1ccccc1)CO2
InChIInChI=1S/C21H24N2O2/c24-20(14-17-6-10-22-11-7-17)23-12-8-21(9-13-23)15-19(16-25-21)18-4-2-1-3-5-18/h1-7,10-11,19H,8-9,12-16H2
InChIKeyRVTVXNYPSBLWAR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.19
Rot. Bonds3

About 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone

1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone (PubChem CID 118744657) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
PubChem CID118744657
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC2(CC1)CC(c1ccccc1)CO2
InChIInChI=1S/C21H24N2O2/c24-20(14-17-6-10-22-11-7-17)23-12-8-21(9-13-23)15-19(16-25-21)18-4-2-1-3-5-18/h1-7,10-11,19H,8-9,12-16H2
InChIKeyRVTVXNYPSBLWAR-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tropicamide
CID 5593
Tropicamide, (R)-
CID 688595
(+/-)-threo-N-(3-Methylpyridine)methylphenidate
CID 52943482
(+/-)-threo-N-(4-Methylpyridine)methylphenidate
CID 52950138
Pimetremide
CID 3047846
(4-Benzyl-4-hydroxypiperidin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 49864754
1-(4-Methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 71451569
1-(4-Methylpiperazin-1-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 71456922
Benzeneacetamide, alpha-((acetyloxy)methyl)-N-(4-pyridinylmethyl)-, monohydrochloride
CID 215785
Tropicamide, (S)-
CID 688596
1-(4'-Hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-2-phenyl-ethanone
CID 1446476
2-(3-Fluorophenyl)-1-[3-(methoxymethyl)-4-(pyridin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 110202848

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone (CID 118744657) is 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCC2(CC1)CC(c1ccccc1)CO2.
What is the InChIKey of 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
The InChIKey is RVTVXNYPSBLWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(14-17-6-10-22-11-7-17)23-12-8-21(9-13-23)15-19(16-25-21)18-4-2-1-3-5-18/h1-7,10-11,19H,8-9,12-16H2.
What are the key properties of 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone has a molecular weight of 336.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 118744657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).